| BioID | bio3561 |
|---|
| Name | NILOTINIB HYDROCHLORIDE MONOHYDRATE |
|---|
| ChEMBL ID | CHEMBL1201740 |
|---|
| Molecular Formula | C28H25ClF3N7O2 |
|---|
| Molecular Weight | 584.0 |
|---|
| Molecular Weight (Monoisotopic) | 529.1838 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar18 |
|---|
| Target Name | Serine/threonine-protein kinase cot (COT) |
|---|
| Synonyms | NILOTINIB (AS HYDROCHLORIDE)|NILOTINIB HYDROCHLORIDE|NILOTINIB HYDROCHLORIDE ANHYDROUS|NILOTINIB HYDROCHLORIDE HYDRATE|NILOTINIB HYDROCHLORIDE MONOHYDRATE|Nilotinib Hydrochloride Monohydrate|Tasigna |
|---|
| Smiles | Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1.Cl.O |
|---|
| Inchi | InChI=1S/C28H22F3N7O.ClH.H2O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38;;/h3-16H,1-2H3,(H,35,39)(H,33,36,37);1H;1H2 |
|---|
| Inchi Key | YCBPQSYLYYBPDW-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -1.94 |
|---|
| Records Key | ['NILOTINIB HYDROCHLORIDE MONOHYDRATE', 'NILOTINIB HYDROCHLORIDE MONOHYDRATE', 'NILOTINIB HYDROCHLORIDE MONOHYDRATE', 'NILOTINIB HYDROCHLORIDE MONOHYDRATE'] |
|---|
| Records Name | ['NILOTINIB HYDROCHLORIDE MONOHYDRATE', 'NILOTINIB HYDROCHLORIDE MONOHYDRATE', 'NILOTINIB HYDROCHLORIDE MONOHYDRATE', 'NILOTINIB HYDROCHLORIDE MONOHYDRATE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
